3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine

C15H16N6O2 — CID 100664637

IUPAC3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(N2CCC(n3cccn3)CC2)nc2ccccn12
InChIInChI=1S/C15H16N6O2/c22-21(23)15-14(17-13-4-1-2-8-19(13)15)18-10-5-12(6-11-18)20-9-3-7-16-20/h1-4,7-9,12H,5-6,10-11H2
InChIKeyMRAYKVCKTSGBEU-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.28
Rot. Bonds3

About 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine

3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 100664637) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine
PubChem CID100664637
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(N2CCC(n3cccn3)CC2)nc2ccccn12
InChIInChI=1S/C15H16N6O2/c22-21(23)15-14(17-13-4-1-2-8-19(13)15)18-10-5-12(6-11-18)20-9-3-7-16-20/h1-4,7-9,12H,5-6,10-11H2
InChIKeyMRAYKVCKTSGBEU-UHFFFAOYSA-N
XLogP2.28
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine (CID 100664637) is 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine is O=[N+]([O-])c1c(N2CCC(n3cccn3)CC2)nc2ccccn12.
What is the InChIKey of 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is MRAYKVCKTSGBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c22-21(23)15-14(17-13-4-1-2-8-19(13)15)18-10-5-12(6-11-18)20-9-3-7-16-20/h1-4,7-9,12H,5-6,10-11H2.
What are the key properties of 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine?
3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 312.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(4-pyrazol-1-ylpiperidin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 100664637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).